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MolNFT v1 · #3070 · protein

Complex recognition of the supertypic BW6-determinant on HLA-B and-C molecules by the monoclonal antibody SFR8-B6

1CG9 · Protein (HLA class I histocompatibility antigen, B-35 B*…: “Complex recognition of the supertypic BW6-determinant on HLA-B and-C molecules by the monoclonal antibody…”. X-ray diffraction, 3 pockets (best druggability 0.67). MolNFT…

PDB
1CG9
Type
protein
Length
386 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (HLA class I histocompatibility antigen, B-35 B* 3501 alpha chain); Protein…
UniProt
P30685, P61769, P03204
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (HLA class I histocompatibility antigen, B-35 B* 3501 alpha chain)protein27729% helix, 40% strandP30685
BProtein (beta-2-microglobulin)protein1000% helix, 49% strandP61769
CProtein (ebna-6 nuclear protein (ebna-3C) (ebna-4B))protein90% helix, 0% strandP03204

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15310.670.7854empty
21200.420.7615empty
3510.300.7613empty

Interfaces

2 interfaces between chains.

  • A–B · 1409 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 853 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 1CG9 · Complex recognition of the supertypic BW6-determinant on HLA-B and-C molecules by the… · the same entry in another collection · chain A against A, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.98

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